1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine

C11H20N2S — CID 61331303

IUPAC1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine
SMILESCCc1nc(C(N)CC(C)C)sc1C
InChIInChI=1S/C11H20N2S/c1-5-10-8(4)14-11(13-10)9(12)6-7(2)3/h7,9H,5-6,12H2,1-4H3
InChIKeyGZYHFROIAAXNNF-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.06
Rot. Bonds4

About 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine (PubChem CID 61331303) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine
PubChem CID61331303
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine
SMILESCCc1nc(C(N)CC(C)C)sc1C
InChIInChI=1S/C11H20N2S/c1-5-10-8(4)14-11(13-10)9(12)6-7(2)3/h7,9H,5-6,12H2,1-4H3
InChIKeyGZYHFROIAAXNNF-UHFFFAOYSA-N
XLogP3.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Dimethyl-1,3-thiazol-5-yl)ethan-1-amine
CID 15670034
1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethan-1-amine
CID 19805509
2-(2,4-Dimethyl-1,3-thiazol-5-yl)ethanamine;hydrobromide
CID 45261526
4-Thiazolemethanamine, alpha,2,5-trimethyl-, hydrochloride (1:2)
CID 50944361
Methyl({1-[4-methyl-2-(propan-2-yl)-1,3-thiazol-5-yl]ethyl})amine
CID 61287604
1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethan-1-amine
CID 24261659
2-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274632
(3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 95281219
[5-Ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
CID 105463808
5-Ethyl-2-isobutyl-4-methyl-thiazole
CID 85739882
2,5-Dimethyl-4-propan-2-yl-1,3-thiazole
CID 18335540
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730360

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine?
The IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine (CID 61331303) is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine is CCc1nc(C(N)CC(C)C)sc1C.
What is the InChIKey of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine?
The InChIKey is GZYHFROIAAXNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-5-10-8(4)14-11(13-10)9(12)6-7(2)3/h7,9H,5-6,12H2,1-4H3.
What are the key properties of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine?
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine has a molecular weight of 212.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 61331303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).